Alpha-caryophyllene

Names

[ CAS No. ]:
6753-98-6

[ Name ]:
Alpha-caryophyllene

[Synonym ]:
(1E,4E,8E)-alpha-humulene
EINECS 229-816-7
α-Caryophyllene
MFCD00042689

Chemical & Physical Properties

[ Density]:
0.889 g/mL at 20 °C(lit.)

[ Boiling Point ]:
166-168 °C(lit.)

[ Molecular Formula ]:
C₁₅H₂₄

[ Molecular Weight ]:
204.35100

[ Flash Point ]:
90°C

[ Exact Mass ]:
204.18800

[ LogP ]:
5.03540

[ Index of Refraction ]:
n20/D 1.503(lit.)

[ Storage condition ]:
2-8°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GZ4817500

CHEMICAL NAME :: 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-

CAS REGISTRY NUMBER :: 6753-98-6

BEILSTEIN REFERENCE NO. :: 3240075

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C15-H24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intratracheal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >48 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - pulmonary emboli

REFERENCE :: ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 59,78,1986

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NA 1993 / PGIII

[ WGK Germany ]:
3

[ RTECS ]:
GZ4817500

[ HS Code ]:
2902199090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2902199090

[ Summary ]:
2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

Articles

Analysis of the essential oil of Amsonia illustris.

Nat. Prod. Commun. 6(2) , 235-6, (2011)

The root and leaf essential oils, present in trace amounts in Amsonia illustris Woods. (Apocynaceae), were isolated by steam distillation and their chemical constituents identified by GC-FID and GC-MS...

Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency.

Biochem. J. 451(3) , 417-26, (2013)

Most TPSs (terpene synthases) contain plasticity residues that are responsible for diversified terpene products and functional evolution, which provide a potential for improving catalytic efficiency. ...

The gas-phase ozonolysis of α-humulene.

Phys. Chem. Chem. Phys. 13(23) , 10970-1001, (2011)

α-Humulene contains three double bonds (DB), and after ozonolysis of the first DB the first-generation products are still reactive towards O(3) and produce second- and third-generation products. The p...

alpha-caryophyllene alcohol
alpha-caryophyllene alcohol acetate
alpha,alpha-Dimethylpiperazine-1,4-diethanol
(-)-alpha-Narcotine
ALPHA-MAN-[1->3][ALPHA-MAN-(1->6)]-ALPHA-MAN-[1->6][ALPHA-MAN-(1->3)]-MAN
alpha-glucopyranosyl alpha-xylopyranoside
2-Methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]butan-1-one
1-{[(5-Chlorofuran-2-yl)methyl]sulfanyl}-3-methylbutan-2-one
1-{1-[2-(Piperidin-1-yl)pyridin-3-yl]cyclopropyl}ethan-1-one
4-[2-Chloro-6-(trifluoromethyl)phenyl]but-3-en-2-one
3-(3,3-Dimethylcyclohexyl)-1,1,1-trifluoropropan-2-one
2,2-difluoro-1-(6-methoxy-1H-indol-2-yl)ethan-1-one
3-Oxo-1-(3,3,3-trifluoropropyl)cyclobutane-1-carbonitrile
1,1,1-Trifluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-one
3-Oxo-1-[2-(thiophen-3-yl)ethyl]cyclobutane-1-carbonitrile
1-(3,5-Dimethoxy-4-methylphenyl)-2,2,2-trifluoroethan-1-one

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